乙基磺酰氯(594-44-5)Raman光譜
分子式:C2H5ClO2S
分子量: 128.58
InChI:InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3
InChIKey: FRYHCSODNHYDPU-UHFFFAOYSA-N
Smiles:C(S(Cl)(=O)=O)C
-
Mass
MS-NW-4925
ethanesulfonyl chloride
C2H5ClO2S (Mass of molecular ion: 128)
Source Temperature: 270 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
26.0 3.9
27.0 26.5
28.0 8.2
29.0 100.0
30.0 2.4
36.0 2.0
48.0 2.7
64.0 3.0
65.0 1.0
93.0 8.1
90 MHz in CDCl3
parameter neat
-
1H NMR |
89.56 MHz |
C2 H5 Cl O2 S
|
0.04 ml : 0.5 ml CDCl3
|
ethanesulfonyl chloride
|
|
Assign. Shift(ppm)
A 3.694
B 1.621
|
Hz ppm Int.
342.56 3.825 121
342.19 3.821 108
335.00 3.741 441
327.69 3.659 477
320.69 3.581 152
152.19 1.700 476
145.06 1.620 1000
137.63 1.537 393
-
1H NMR |
300 MHz |
C2 H5 Cl O2 S
|
neat
|
ethanesulfonyl chloride
|
|
Parameter ppm Hz
D(A) 1.44
D(B) *1 4.58
D(C) *1 4.43
J(A,B) 7.1
J(A,C) 6.9
J(B,C) -10.0
SEEL,F. ET AL. CHEM.BER. 102, 443 (1969)
|
Hz ppm Int.
1390.25 4.634 35
1383.14 4.610 105
1380.26 4.601 57
1376.05 4.587 109
1373.15 4.577 163
1368.94 4.563 40
1366.03 4.553 164
1358.95 4.530 57
1343.84 4.479 54
1336.94 4.456 162
1333.85 4.446 39
1330.04 4.433 165
1326.95 4.423 108
1323.14 4.410 59
1320.05 4.400 106
1313.18 4.377 37
438.97 1.463 542
431.98 1.440 1000
424.98 1.417 529